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	hartrees
Energy at 0K	-319.364039
Energy at 298.15K	-319.369787
HF Energy	-318.466587
Nuclear repulsion energy	187.272879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3068	4.66
2	A'	3152	2945	14.46
3	A'	1877	1753	187.52
4	A'	1562	1460	8.39
5	A'	1510	1411	8.50
6	A'	1324	1237	213.88
7	A'	1218	1138	5.84
8	A'	1074	1003	115.58
9	A'	866	810	203.38
10	A'	679	635	17.65
11	A'	585	546	1.42
12	A'	354	331	2.93
13	A"	3262	3048	15.12
14	A"	1539	1438	6.73
15	A"	1200	1122	1.31
16	A"	756	706	13.67
17	A"	227	212	0.96
18	A"	146	136	2.51

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.617	0.000
O2	-1.222	0.545	0.000
O3	0.731	1.591	0.000
O4	0.722	-0.601	0.000
C5	-0.144	-1.747	0.000
H6	0.553	-2.578	0.000
H7	-0.766	-1.766	0.889
H8	-0.766	-1.766	-0.889

	N1	O2	O3	O4	C5	H6	H7	H8
N1		1.2236	1.2180	1.4155	2.3682	3.2416	2.6566	2.6566
O2	1.2236		2.2148	2.2560	2.5330	3.5916	2.5183	2.5183
O3	1.2180	2.2148		2.1923	3.4511	4.1724	3.7823	3.7823
O4	1.4155	2.2560	2.1923		1.4363	1.9835	2.0888	2.0888
C5	2.3682	2.5330	3.4511	1.4363		1.0840	1.0857	1.0857
H6	3.2416	3.5916	4.1724	1.9835	1.0840		1.7858	1.7858
H7	2.6566	2.5183	3.7823	2.0888	1.0857	1.7858		1.7789
H8	2.6566	2.5183	3.7823	2.0888	1.0857	1.7858	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O4	C5	112.285	O2	N1	O3	130.209
O2	N1	O4	117.302	O3	N1	O4	112.489
O4	C5	H6	102.920	O4	C5	H7	111.072
O4	C5	H8	111.072	H6	C5	H7	110.791
H6	C5	H8	110.791	H7	C5	H8	110.026

All results from a given calculation for CH₃NO₃ (Methyl nitrate)

using model chemistry: MP2=FULL/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3NO3 (Methyl nitrate)

using model chemistry: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for CH₃NO₃ (Methyl nitrate)